SCHEMBL10761813

SCHEMBL10761813

CS(=O)(=O)c1ccc(C=CC2=NNC(=O)CC2)cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.55
▸ PTGS1 P23219 3/20 0.55
▸ RAB9A P51151 5/20 0.53
▸ LMNA P02545 4/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ NPC1 O15118 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ PKM P14618 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ PDE3B Q13370 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ MAOB P27338 3/20 0.32
▸ MAOA P21397 1/20 0.32
▸ LCK P06239 2/20 0.32
▸ ALOX12 P18054 2/20 0.31
▸ ALOX5 P09917 2/20 0.31
▸ RGS12 O14924 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10760888 0.83 LMNA (0.60) PTGS2PTGS1RAB9ALMNASMN1; SMN2
SCHEMBL10763511 0.81 SMN1; SMN2 (0.60) PTGS2PTGS1RAB9ALMNASMN1; SMN2
SCHEMBL10765022 0.80 PTGS2 (0.54) PTGS2PTGS1RAB9ALMNASMN1; SMN2
SCHEMBL10762731 0.79 RAB9A (0.64) PTGS2PTGS1RAB9ALMNASMN1; SMN2
SCHEMBL10762692 0.79 LMNA (0.64) PTGS2PTGS1RAB9ALMNASMN1; SMN2
SCHEMBL10763237 0.79 PTGS1 (0.56) PTGS2PTGS1RAB9ALMNASMN1; SMN2
SCHEMBL10760816 0.78 PDE3B (0.55) PTGS2PTGS1GAAPDE3BPDE3A
SCHEMBL10762077 0.78 PTGS1 (0.68) PTGS2PTGS1RAB9ALMNASMN1; SMN2
SCHEMBL10764736 0.77 LMNA (0.64) PTGS2PTGS1RAB9ALMNASMN1; SMN2
SCHEMBL10763655 0.76 LMNA (0.67) PTGS2PTGS1RAB9ALMNASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0210530-A1 6-Arylalkenyl pyridazinones MERCK PATENT GmbH (DE) 1987-02-04 — — EP disclosed
Send feedback